ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006530
RECORD_TITLE: PENTYL ISOPENTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PENTYL ISOPENTANOATE
CH$NAME: AMYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCOC(=O)CC(C)C
CH$IUPAC: InChI=1S/C10H20O2/c1-4-5-6-7-12-10(11)8-9(2)3/h9H,4-8H2,1-3H3
CH$LINK: INCHIKEY QURFFFCYNQXLCU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1067093

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-059f-9100000000-80e4b949d6b2457b120a
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  15 1.43 14
  26 1.19 12
  27 24.59 246
  29 37.43 374
  31 1.75 18
  39 20.73 207
  41 60.64 606
  42 36.88 369
  43 72.1 721
  44 2.32 23
  45 3.78 38
  53 2.07 21
  54 1.02 10
  55 28.98 290
  56 6.29 63
  57 68.06 681
  58 3 30
  59 6.32 63
  60 21.27 213
  61 16.6 166
  69 8.7 87
  70 91.07 911
  71 17.92 179
  72 1.12 11
  85 99.99 999
  86 5.99 60
  87 19.02 190
  100 1.15 12
  101 1.02 10
  102 6.98 70
  103 78.03 780
  104 4.48 45
  115 5.18 52
  130 3.56 36
//